Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 939-415-5 | CAS number: -
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: analogue substance
- Justification for type of information:
- Distribution modelling is not required because available data indicate that structural variation does not influence test results or adverse effect profile (see read-across and category justifications attached in Section 13).
Cross-reference
- Reason / purpose for cross-reference:
- read-across source
Reference
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Validated model.
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPI Suite
- Release year:
- 2 011
- Media:
- air - biota - sediment(s) - soil - water
- Test substance input data:
- SMILES : C(CC)(COC(=O)CC(C)CC(C)(C)(C))(COC(=O)CC(C)CC(C)(C)(C))(COC(=O)CC(C)C C(C)(C)(C))
CHEM : Hexanoic acid, 3,5,5-trimethyl-, 1,1'-[2-ethyl-2-[[(3,5,5-trimethyl-1 -oxohexyl)oxy]methyl]-1,3-propanediyl] ester
MOL FOR: C33 H62 O6
MOL WT : 554.86 - Environmental properties:
- Henry's LC : 4.45e-007 atm-m3/mole (Henrywin program)
Vapor Press : 3.86e-009 mm Hg (Mpbpwin program)
Liquid VP : 8.03e-008 mm Hg (super-cooled)
Melting Pt : 158 deg C (Mpbpwin program)
Log Kow : 11.6 (Kowwin program)
Soil Koc : 1.42e+007 (KOCWIN MCI method) - Air (%):
- 0.06
- Water (%):
- 5.34
- Soil (%):
- 94.1
- Sediment (%):
- 0.54
- Other distribution results:
- Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0603 11.2 1000
Water 5.34 4.32e+003 1000
Soil 94.1 8.64e+003 1000
Sediment 0.54 3.89e+004 0
Fugacity Reaction Advection Reaction Advection
(atm) (kg/hr) (kg/hr) (percent) (percent)
Air 3.61e-013 619 100 20.6 3.33
Water 1.95e-016 142 885 4.73 29.5
Soil 2.04e-015 1.25e+003 0 41.7 0
Sediment 5.27e-016 1.6 1.79 0.0532 0.0597
Persistence Time: 5.53e+003 hr
Reaction Time: 8.23e+003 hr
Advection Time: 1.68e+004 hr
Percent Reacted: 67.1
Percent Advected: 32.9
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 11.18
Water: 4320
Soil: 8640
Sediment: 3.888e+004
Biowin estimate: 1.545 (recalcitrant)
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004 - Conclusions:
- The substance is predicted to partition mainly to soil (94.1%)
- Executive summary:
The substance is predicted to partition mainly to soil (94.1%)
Data source
Materials and methods
Test material
- Reference substance name:
- Monopentaerythritol tetraesters and dipentaerythritol hexaesters of 3,5,5-trimethylhexanoic, n-heptanoic, n-octanoic and n-decanoic acids
- EC Number:
- 939-415-5
- Molecular formula:
- Too complex
- IUPAC Name:
- Monopentaerythritol tetraesters and dipentaerythritol hexaesters of 3,5,5-trimethylhexanoic, n-heptanoic, n-octanoic and n-decanoic acids
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 0.06
- Water (%):
- 5.34
- Soil (%):
- 94.1
- Sediment (%):
- 0.54
Applicant's summary and conclusion
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.